- InChI
- InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+
- InChI Key
- MBRLTLPMVMFRTJ-BQYQJAHWSA-N
- Formula
- C10H18O2
- SMILES
- CCCCC/C=C/COC(C)=O
- Molecular Weight1
- 170.25
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4980 | Relay (1.0) Calculated Property | |
| ΔfG° | -196.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | 1223.00 | NIST | |
| I | [1474.00; 1474.00] |
|
|
| I | 1474.00 | NIST | |
| I | 1474.00 | NIST | |
| Tboil | 471.99 | K | Relay (1.0) Calculated Property |
| Tc | 656.47 | K | Relay (1.0) Calculated Property |
| Tfus | 207.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.97; 420.76] | J/mol×K | [490.78; 667.67] |
|
| Cp,gas | 344.97 | J/mol×K | 490.78 | Joback Calculated Property |
| Cp,gas | 359.10 | J/mol×K | 520.26 | Joback Calculated Property |
| Cp,gas | 372.61 | J/mol×K | 549.74 | Joback Calculated Property |
| Cp,gas | 385.51 | J/mol×K | 579.22 | Joback Calculated Property |
| Cp,gas | 397.83 | J/mol×K | 608.70 | Joback Calculated Property |
| Cp,gas | 409.57 | J/mol×K | 638.19 | Joback Calculated Property |
| Cp,gas | 420.76 | J/mol×K | 667.67 | Joback Calculated Property |
| η | [0.0001750; 0.0055282] | Pa×s | [239.71; 490.78] |
|
| η | 0.0055282 | Pa×s | 239.71 | Joback Calculated Property |
| η | 0.0020273 | Pa×s | 281.56 | Joback Calculated Property |
| η | 0.0009638 | Pa×s | 323.40 | Joback Calculated Property |
| η | 0.0005433 | Pa×s | 365.25 | Joback Calculated Property |
| η | 0.0003446 | Pa×s | 407.09 | Joback Calculated Property |
| η | 0.0002379 | Pa×s | 448.93 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 490.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Octenyl acetate.
Sources
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